Information card for entry 4322729

Structure parameters

• Formula: C26 H21 Co F12 N2 O5
• Calculated formula: C26 H21 Co F12 N2 O5
• SMILES: [Co]123([n]4ccccc4C([N](=[O]1)C(C)(C)C)c1ccccc1)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O3)C(F)(F)F
• Title of publication: Stabilization of a Nitroxide with a β-Hydrogen by Metals: Structure and Magnetic Properties of Adducts of N-Oxy-N-tert-butyl-(2-pyridyl)phenylmethanamine with Mn(II), Ni(II), and Co(II) Hexafluoroacetylacetonates
• Authors of publication: Frederick A. Villamena; Michael H. Dickman; DeLanson R. Crist
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1454 - 1457
• a: 7.9319 ± 0.0004 Å
• b: 11.4766 ± 0.0006 Å
• c: 17.3951 ± 0.0008 Å
• α: 92.78 ± 0.001°
• β: 101.33 ± 0.001°
• γ: 101.04 ± 0.001°
• Cell volume: 1517.79 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.1211
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No